esculin hydrate

Properties Image MNX_ID MNXM155790 reference chebi:73111 formula C15H18O10 global charge 0 mol weight 358.299 InChIKey CQYPGSKIFJFVDQ-QWFKVUSTSA-N InChI InChI=1S/C15H16O9.H2O/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;/h1-4,10,12-17,19-21H,5H2;1H2/t10-,12-,13+,14-,15-;/m1./s1 SMILES O.O=C1C=CC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C=C2O1 MNX internals InChI (mnx) InChI=1/C15H16O9.H2O/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;/h1-4,10,12-17,19-21H,5H2;1H2/t10-,12-,13+,14-,15-;/m1./s1 SMILES (mnx) [CH:1]1=[CH:2][C:11](=[O:18])[O:22][C:8]2=[CH:4][C:7]([OH:17])=[C:9]([O:23][C@H:15]3[C@H:14]([OH:21])[C@@H:13]([OH:20])[C@H:12]([OH:19])[C@@H:10]([CH2:5][OH:16])[O:24]3)[CH:3]=[C:6]12.[OH2:25]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0